AG002QKK

25128-35-2 | 1H-Indole-7-carboxylic acid, 2,3-dihydro-2,3-dioxo-

AG002QKK

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CAS Number	25128-35-2
Catalog Number	AG002QKK(AGN-PC-0KKZJ3)
Chemical Name	1H-Indole-7-carboxylic acid, 2,3-dihydro-2,3-dioxo-
IUPAC Name	2,3-dioxo-1H-indole-7-carboxylic acid
InChI	InChI=1S/C9H5NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12)
InChI Key	ROODQCZSWXEDJL-UHFFFAOYSA-N
MDL Number	MFCD00612492
Molecular Formula	C9H5NO4
Molecular Weight	191.1403
SMILES	O=C(C1=CC=CC2=C1NC(C2=O)=O)O
Synonyms	2,3-dioxoindoline-7-carboxylic acid, 25128-35-2, Isatin-7-carboxylic acid, 2,3-DIOXO-2,3-DIHYDRO-1H-INDOLE-7-CARBOXYLIC ACID, 2,3-dioxo-1H-indole-7-carboxylic Acid, CHEMBL375078, 1H-INDOLE-7-CARBOXYLIC ACID, 2,3-DIHYDRO-2,3-DIOXO-, 2,3-dioxo-1H-benzo[d]azolidine-7-carboxylic acid, 2,3-Dioxoindoline-7-carboxylicacid, 7-isatincarboxylic acid, PubChem24310, AC1MCVF6, AC1Q72QN, Isatin-based compound, 46, SCHEMBL1742133, BDBM22826, CTK1A1532, DTXSID00381427, ROODQCZSWXEDJL-UHFFFAOYSA-N, ACT03764, ALBB-019929, KS-00000FO0, ZINC2496760, 2,3-dioxo-7-indolinecarboxylic acid, ANW-47283, MFCD00612492, SBB053532, STL388080, AKOS000264750, CCG-103968, CD-1299, CL-0796, CM10158, CS-W021493, LS20612, MB01344, MCULE-7452148962, PS-4403, RP03765, AJ-35965, AK-27072, BR-27072, EN002505, SC-17071, AB0005915, DB-002098, ST2409052, TC-060920, 4CH-007041, A5097, FT-0627311, ST50949671, W4835, EN300-33314, S-2774, 2,3-dioxoindoline-7-carboxylic acid, AldrichCPR, 128D352, SR-01000400445, I10-0356, I10-0502, SR-01000400445-1, W-206928, 1H-Indole-7-carboxylicacid, 2,3-dihydro-2,3-dioxo-, 2,3-DIHYDRO-2,3-DIOXO-1H-INDOLE-7-CARBOXYLIC ACID, Cholecystokinin octapeptide, D0Y0XQ, CCK-8, C9H5NO4, CID2779383,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.022g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	191.142g/mol
Monoisotopic Mass	191.022g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	83.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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